N-butyl-3,3-dimethylpent-4-enamide

C11H21NO — CID 154977240

IUPACN-butyl-3,3-dimethylpent-4-enamide
SMILESC=CC(C)(C)CC(=O)NCCCC
InChIInChI=1S/C11H21NO/c1-5-7-8-12-10(13)9-11(3,4)6-2/h6H,2,5,7-9H2,1,3-4H3,(H,12,13)
InChIKeyVXKIODLRHGQDQV-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.51
Rot. Bonds6

About N-butyl-3,3-dimethylpent-4-enamide

N-butyl-3,3-dimethylpent-4-enamide (PubChem CID 154977240) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-butyl-3,3-dimethylpent-4-enamide.

Molecular Properties

Compound NameN-butyl-3,3-dimethylpent-4-enamide
PubChem CID154977240
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-butyl-3,3-dimethylpent-4-enamide
SMILESC=CC(C)(C)CC(=O)NCCCC
InChIInChI=1S/C11H21NO/c1-5-7-8-12-10(13)9-11(3,4)6-2/h6H,2,5,7-9H2,1,3-4H3,(H,12,13)
InChIKeyVXKIODLRHGQDQV-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 156529855
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N-butyl-5-chloropentanamide
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N-butyl-10,10-dimethylundecanamide
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N-butyl-N'-pentylpropanediamide
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N-butylprop-2-enamide;hydrofluoride
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N-butyl-3-oxobutanamide
CID 5161533
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
6-(butylamino)-6-oxohexanoic acid
CID 43529485
N-butyl-2-(2,2-dimethylpropylamino)acetamide
CID 61485526
N-butyl-4-methyl-4-(methyldisulfanyl)pentanamide
CID 89336031
N-hexadecylhexanamide
CID 4953738

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3-dimethylpent-4-enamide?
The IUPAC name of N-butyl-3,3-dimethylpent-4-enamide (CID 154977240) is N-butyl-3,3-dimethylpent-4-enamide.
What is the SMILES notation for N-butyl-3,3-dimethylpent-4-enamide?
The canonical SMILES for N-butyl-3,3-dimethylpent-4-enamide is C=CC(C)(C)CC(=O)NCCCC.
What is the InChIKey of N-butyl-3,3-dimethylpent-4-enamide?
The InChIKey is VXKIODLRHGQDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-7-8-12-10(13)9-11(3,4)6-2/h6H,2,5,7-9H2,1,3-4H3,(H,12,13).
What are the key properties of N-butyl-3,3-dimethylpent-4-enamide?
N-butyl-3,3-dimethylpent-4-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3-dimethylpent-4-enamide is sourced from PubChem (CID 154977240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).